galloyl(-3)[galloyl(-4)][coumaroyl(3-OH)(-6)]Glc(b)-O-galloyl
| Internal ID | a762c606-876b-4456-a77d-fdc89e1373b8 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins |
| IUPAC Name | [(2R,3R,4R,5R,6S)-2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-5-hydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1=CC(=C(C=C1C=CC(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O |
| InChI | InChI=1S/C36H30O21/c37-17-3-1-13(5-18(17)38)2-4-26(45)53-12-25-31(55-33(50)14-6-19(39)27(46)20(40)7-14)32(56-34(51)15-8-21(41)28(47)22(42)9-15)30(49)36(54-25)57-35(52)16-10-23(43)29(48)24(44)11-16/h1-11,25,30-32,36-44,46-49H,12H2/b4-2+/t25-,30-,31-,32-,36+/m1/s1 |
| InChI Key | FUVDIBXEXWCWKY-RDAUDDROSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H30O21 |
| Molecular Weight | 798.60 g/mol |
| Exact Mass | 798.12795796 g/mol |
| Topological Polar Surface Area (TPSA) | 357.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of galloyl(-3)[galloyl(-4)][coumaroyl(3-OH)(-6)]Glc(b)-O-galloyl](https://plantaedb.com/storage/docs/compounds/2023/11/galloyl-3galloyl-4coumaroyl3-oh-6glcb-o-galloyl.jpg "2D Structure of galloyl(-3)[galloyl(-4)][coumaroyl(3-OH)(-6)]Glc(b)-O-galloyl")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.82% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.71% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 97.48% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.70% | 86.33% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 96.66% | 83.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.88% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.44% | 96.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 91.87% | 80.78% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.00% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.89% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.99% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.32% | 97.09% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 84.31% | 95.64% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.92% | 89.34% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.65% | 90.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.37% | 92.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.16% | 98.95% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Balanophora japonica |
| PubChem | 11094003 |
| LOTUS | LTS0269696 |
| wikiData | Q105002075 |